c-axis dimer and its electronic breakup: the insulator-to-metal transition in Ti2O3
We report on our investigation of the electronic structure of Ti2O3 using (hard) x-ray photoelectron and soft x-ray absorption spectroscopy. From the distinct satellite structures in the spectra, we have been able to establish unambiguously that the Ti-Ti c-axis dimer in the corundum crystal structu...
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| Main Authors: | , |
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| Format: | Article (Journal) |
| Language: | English |
| Published: |
3 April 2018
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| In: |
Physical review. X, Expanding access
Year: 2018, Volume: 8, Issue: 2, Pages: 021004 |
| ISSN: | 2160-3308 |
| DOI: | 10.1103/PhysRevX.8.021004 |
| Online Access: | Verlag, kostenfrei, Volltext: http://dx.doi.org/10.1103/PhysRevX.8.021004 Verlag, kostenfrei, Volltext: https://link.aps.org/doi/10.1103/PhysRevX.8.021004 
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| Author Notes: | C.F. Chang, T.C. Koethe, Z. Hu, J. Weinen, S. Agrestini, L. Zhao, J. Gegner, H. Ott, G. Panaccione, Hua Wu, M.W. Haverkort, H. Roth, A.C. Komarek, F. Offi, G. Monaco, Y.-F. Liao, K.-D. Tsuei, H.-J. Lin, C.T. Chen, A. Tanaka, and L.H. Tjeng |
| Summary: | We report on our investigation of the electronic structure of Ti2O3 using (hard) x-ray photoelectron and soft x-ray absorption spectroscopy. From the distinct satellite structures in the spectra, we have been able to establish unambiguously that the Ti-Ti c-axis dimer in the corundum crystal structure is electronically present and forms an a1ga1g molecular singlet in the low-temperature insulating phase. Upon heating, we observe a considerable spectral weight transfer to lower energies with orbital reconstruction. The insulator-metal transition may be viewed as a transition from a solid of isolated Ti-Ti molecules into a solid of electronically partially broken dimers, where the Ti ions acquire additional hopping in the a−b plane via the eπg channel, the opening of which requires consideration of the multiplet structure of the on-site Coulomb interaction. |
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| Item Description: | Im Titel sind die Ziffern "2" und "3" tiefgestellt Gesehen am 30.05.2018 |
| Physical Description: | Online Resource |
| ISSN: | 2160-3308 |
| DOI: | 10.1103/PhysRevX.8.021004 |